==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-JUN-10 2KZX . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR J.L.MILLS,A.ELETSKY,H.LEE,H.JANJUA,C.CICCOSANTI,R.WANG,B.ROS . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 112 0, 0.0 2,-0.6 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 99.6 4.9 -9.8 14.7 2 2 A K - 0 0 133 119,-1.2 24,-0.1 1,-0.0 28,-0.0 -0.923 360.0 -95.3-102.4 123.5 6.7 -12.9 13.5 3 3 A D S S+ 0 0 102 -2,-0.6 24,-0.2 1,-0.1 2,-0.2 -0.077 83.7 91.4 -53.5 111.4 9.1 -12.0 10.6 4 4 A G S S- 0 0 3 20,-0.1 22,-1.6 23,-0.0 2,-0.3 -0.553 78.0 -61.6-159.9-133.6 7.3 -12.7 7.4 5 5 A T E -Ab 25 124A 0 118,-0.7 120,-1.3 20,-0.2 2,-0.5 -0.957 37.5-171.6-145.6 120.9 5.1 -10.8 4.9 6 6 A Y E +A 24 0A 0 18,-2.5 18,-3.3 -2,-0.3 2,-0.3 -0.957 10.6 172.4-117.5 120.9 1.7 -9.2 5.6 7 7 A Y E -A 23 0A 41 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.920 10.5-172.3-125.7 152.5 -0.4 -7.8 2.8 8 8 A A E -A 22 0A 11 14,-0.9 14,-1.7 -2,-0.3 2,-0.3 -0.990 12.7-146.9-140.5 145.1 -4.0 -6.5 2.7 9 9 A E E -A 21 0A 69 -2,-0.3 12,-0.2 12,-0.2 11,-0.1 -0.726 27.1 -96.4-113.1 153.1 -6.0 -5.4 -0.3 10 10 A A - 0 0 8 10,-0.5 -1,-0.1 -2,-0.3 9,-0.1 -0.420 34.1-126.4 -60.1 141.9 -8.6 -2.8 -0.9 11 11 A D S S+ 0 0 131 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.844 90.1 18.8 -65.3 -34.6 -12.1 -4.3 -0.6 12 12 A D S S- 0 0 111 6,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.842 92.7 -91.1-130.8 167.2 -13.1 -3.1 -4.0 13 13 A F - 0 0 70 -2,-0.3 6,-0.2 6,-0.1 27,-0.1 -0.589 42.1-138.2 -80.7 141.8 -11.3 -1.8 -7.2 14 14 A D > - 0 0 45 4,-1.5 3,-1.1 -2,-0.3 -1,-0.1 0.139 41.0 -64.7 -86.9-157.6 -10.6 1.9 -7.5 15 15 A E T 3 S+ 0 0 123 1,-0.3 52,-0.1 2,-0.1 -2,-0.1 0.819 135.7 39.4 -68.5 -34.7 -10.9 4.4 -10.3 16 16 A S T 3 S- 0 0 0 2,-0.2 43,-2.4 50,-0.2 44,-0.6 0.349 124.1-101.8 -94.2 5.3 -8.2 2.8 -12.5 17 17 A G S < S+ 0 0 2 -3,-1.1 24,-2.0 1,-0.3 2,-0.5 0.735 80.0 133.3 84.0 24.7 -9.4 -0.7 -11.5 18 18 A W E - C 0 40A 0 48,-0.2 -4,-1.5 22,-0.2 2,-0.9 -0.939 52.5-145.8-113.7 126.6 -6.7 -1.3 -9.0 19 19 A K E - C 0 39A 35 20,-2.7 20,-2.0 -2,-0.5 2,-0.3 -0.830 29.7-137.9 -79.1 101.8 -7.2 -2.7 -5.5 20 20 A D E - C 0 38A 4 -2,-0.9 -10,-0.5 18,-0.2 2,-0.3 -0.508 27.2-174.2 -70.0 128.1 -4.4 -0.8 -3.7 21 21 A T E -AC 9 37A 0 16,-2.6 16,-1.2 -2,-0.3 2,-0.5 -0.830 20.8-141.4-121.4 157.2 -2.6 -3.1 -1.3 22 22 A V E -AC 8 36A 1 -14,-1.7 -14,-0.9 -2,-0.3 2,-0.7 -0.978 13.2-161.6-123.3 118.0 0.1 -2.6 1.3 23 23 A T E -AC 7 35A 2 12,-2.1 12,-2.8 -2,-0.5 2,-0.6 -0.883 5.4-162.8-104.7 113.0 2.7 -5.3 1.6 24 24 A I E -AC 6 34A 0 -18,-3.3 -18,-2.5 -2,-0.7 2,-0.8 -0.844 4.1-158.0-100.0 116.7 4.7 -5.2 4.8 25 25 A E E -AC 5 33A 0 8,-2.0 7,-2.4 -2,-0.6 8,-2.1 -0.855 11.7-171.2 -95.4 108.5 8.0 -7.1 5.0 26 26 A V E + C 0 31A 1 -22,-1.6 2,-0.3 -2,-0.8 5,-0.3 -0.870 12.5 164.6 -98.8 132.4 8.8 -7.8 8.6 27 27 A K E > + C 0 30A 73 3,-2.9 3,-1.0 -2,-0.5 -23,-0.0 -0.979 61.1 18.6-153.2 138.8 12.3 -9.3 9.2 28 28 A N T 3 S- 0 0 132 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.751 132.6 -62.4 65.6 29.9 14.3 -9.6 12.5 29 29 A G T 3 S+ 0 0 33 1,-0.2 -1,-0.2 -3,-0.0 2,-0.2 0.049 124.1 68.1 89.4 -24.7 11.0 -9.2 14.4 30 30 A K E < S-C 27 0A 126 -3,-1.0 -3,-2.9 1,-0.0 2,-0.3 -0.659 95.9 -75.3-124.1 174.5 10.4 -5.7 13.1 31 31 A I E +C 26 0A 3 -5,-0.3 -5,-0.2 -2,-0.2 3,-0.1 -0.549 47.9 158.7 -74.5 128.4 9.5 -3.9 9.8 32 32 A V E + 0 0 43 -7,-2.4 2,-0.3 1,-0.3 -6,-0.2 0.615 64.2 16.3-114.2 -27.6 12.4 -3.6 7.5 33 33 A S E -C 25 0A 6 -8,-2.1 -8,-2.0 46,-0.1 -1,-0.3 -0.921 52.9-164.3-147.0 159.6 10.7 -3.1 4.1 34 34 A V E -C 24 0A 0 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.957 12.0-154.9-152.7 137.0 7.4 -2.2 2.6 35 35 A D E -C 23 0A 25 -12,-2.8 -12,-2.1 -2,-0.3 2,-0.6 -0.877 14.6-133.6-117.4 143.2 6.2 -2.7 -1.0 36 36 A W E +C 22 0A 65 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.887 42.0 156.3 -98.5 118.5 3.6 -0.9 -3.1 37 37 A N E -C 21 0A 9 -16,-1.2 -16,-2.6 -2,-0.6 2,-0.3 -0.893 17.3-177.0-144.0 157.5 1.4 -3.5 -4.8 38 38 A A E -C 20 0A 0 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.939 22.7-125.9-166.3 141.7 -2.1 -3.6 -6.3 39 39 A I E -C 19 0A 23 -20,-2.0 -20,-2.7 -2,-0.3 2,-0.4 -0.764 22.6-142.4 -99.5 130.9 -4.5 -6.0 -8.0 40 40 A N E > -C 18 0A 1 5,-2.1 4,-2.1 -2,-0.4 -22,-0.2 -0.759 3.2-147.0 -96.3 139.8 -6.1 -5.2 -11.4 41 41 A K T 4 S+ 0 0 143 -24,-2.0 -1,-0.1 -2,-0.4 -23,-0.1 0.955 98.2 35.8 -62.4 -55.8 -9.7 -6.2 -12.2 42 42 A D T 4 S+ 0 0 105 1,-0.2 -1,-0.2 -25,-0.2 16,-0.1 0.740 118.6 52.6 -79.2 -25.3 -9.3 -6.9 -16.0 43 43 A G T 4 S- 0 0 24 2,-0.2 -1,-0.2 14,-0.2 -2,-0.2 0.927 89.5-150.2 -71.8 -49.6 -5.9 -8.4 -15.6 44 44 A G < + 0 0 58 -4,-2.1 2,-0.2 1,-0.4 -3,-0.1 0.144 64.7 82.5 98.8 -17.0 -6.9 -10.8 -12.9 45 45 A D S S- 0 0 76 1,-0.1 -5,-2.1 -7,-0.0 -1,-0.4 -0.608 79.3 -97.8-117.8 175.4 -3.4 -10.8 -11.3 46 46 A D > - 0 0 32 -7,-0.2 4,-2.6 -2,-0.2 -7,-0.2 -0.161 38.7 -98.6 -86.6 178.5 -1.5 -8.6 -8.8 47 47 A K H > S+ 0 0 20 -9,-0.2 4,-2.1 2,-0.2 5,-0.2 0.852 124.7 58.1 -62.6 -37.7 1.1 -5.8 -9.4 48 48 A D H > S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.931 112.4 37.1 -55.5 -53.0 3.7 -8.5 -8.7 49 49 A T H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.918 117.7 49.3 -69.9 -45.4 2.5 -10.7 -11.5 50 50 A L H X>S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 5,-0.6 0.783 111.3 49.9 -70.0 -31.3 1.6 -7.9 -14.0 51 51 A S H <5S+ 0 0 94 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.879 115.0 44.4 -68.7 -40.5 5.0 -6.2 -13.5 52 52 A R H <5S+ 0 0 186 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.865 122.5 36.7 -71.4 -39.0 6.9 -9.5 -14.1 53 53 A N H <5S- 0 0 100 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.875 101.2-126.2 -84.5 -40.6 4.8 -10.5 -17.1 54 54 A G T <5 + 0 0 64 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.607 70.0 126.2 96.9 19.2 4.3 -7.1 -18.7 55 55 A G < + 0 0 36 -5,-0.6 2,-1.2 -6,-0.2 -4,-0.1 -0.333 29.9 167.1-105.2 49.6 0.5 -7.3 -18.9 56 56 A Y - 0 0 79 -6,-0.3 2,-0.3 -2,-0.3 -9,-0.0 -0.519 11.5-177.4 -70.6 91.9 -0.2 -4.1 -17.1 57 57 A K - 0 0 84 -2,-1.2 2,-0.4 -40,-0.1 -14,-0.2 -0.721 9.0-170.8 -88.0 143.3 -3.9 -3.5 -17.7 58 58 A M - 0 0 31 -2,-0.3 -41,-0.2 -18,-0.1 3,-0.1 -0.998 19.4-151.8-131.0 135.5 -5.7 -0.3 -16.5 59 59 A V S S+ 0 0 71 -43,-2.4 2,-0.4 -2,-0.4 -42,-0.2 0.665 93.7 41.2 -82.0 -13.3 -9.5 0.1 -16.6 60 60 A E + 0 0 86 -44,-0.6 3,-0.3 1,-0.1 -1,-0.2 -0.947 56.9 166.4-133.7 111.5 -9.1 3.8 -16.9 61 61 A Y S S+ 0 0 173 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.635 81.3 49.2 -94.6 -19.7 -6.3 5.2 -19.1 62 62 A G S S+ 0 0 71 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.456 102.4 71.2-116.9 57.9 -7.6 8.7 -19.1 63 63 A G S S- 0 0 42 -3,-0.3 -47,-0.1 1,-0.2 -3,-0.0 -0.689 83.7 -47.6-147.7-160.3 -8.2 9.3 -15.4 64 64 A A - 0 0 54 -2,-0.2 2,-1.3 1,-0.1 -1,-0.2 -0.214 57.9 -96.5 -79.8 169.0 -6.6 9.8 -12.0 65 65 A Q + 0 0 103 1,-0.1 4,-0.1 -50,-0.0 -1,-0.1 -0.725 46.8 164.7 -91.1 89.9 -3.8 7.9 -10.4 66 66 A A + 0 0 3 -2,-1.3 2,-0.3 2,-0.1 -48,-0.2 -0.266 53.2 88.6 -94.2 42.0 -5.7 5.4 -8.2 67 67 A E S S- 0 0 3 -2,-0.1 2,-1.1 -47,-0.1 -29,-0.1 -0.975 84.4-115.5-140.5 146.9 -2.5 3.4 -7.9 68 68 A W + 0 0 1 -2,-0.3 2,-0.1 -31,-0.1 -47,-0.1 -0.798 55.5 160.6 -79.2 97.1 0.6 3.1 -5.8 69 69 A H > - 0 0 51 -2,-1.1 3,-1.2 -4,-0.1 4,-0.2 0.015 61.4 -58.0 -97.7-149.4 3.1 4.1 -8.5 70 70 A E T 3 S+ 0 0 125 1,-0.3 3,-0.3 2,-0.2 4,-0.1 0.479 130.0 67.7 -82.9 -0.4 6.7 5.3 -8.1 71 71 A Q T >> S+ 0 0 77 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.621 86.6 70.3 -85.0 -15.6 5.6 8.3 -6.0 72 72 A A H <> S+ 0 0 1 -3,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.639 78.3 78.8 -71.5 -19.9 4.6 5.6 -3.4 73 73 A E H 3> S+ 0 0 114 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.750 92.3 51.6 -55.2 -29.9 8.5 5.2 -3.0 74 74 A K H <> S+ 0 0 109 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.877 110.8 47.7 -70.6 -39.0 8.2 8.5 -0.9 75 75 A V H X S+ 0 0 0 -4,-0.6 4,-1.1 1,-0.2 -2,-0.2 0.851 107.4 54.3 -73.0 -39.0 5.4 6.9 1.2 76 76 A E H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.881 104.8 52.6 -68.0 -40.7 7.1 3.5 1.9 77 77 A A H X S+ 0 0 52 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.823 107.0 54.9 -63.8 -30.7 10.4 5.1 3.3 78 78 A Y H X S+ 0 0 30 -4,-0.9 4,-1.0 2,-0.2 -1,-0.2 0.778 106.5 50.4 -72.3 -31.2 8.1 7.1 5.7 79 79 A L H X>S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.3 5,-0.5 0.893 108.0 53.7 -69.9 -42.1 6.5 3.8 6.9 80 80 A V H <5S+ 0 0 47 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.896 107.5 49.5 -62.1 -41.9 10.0 2.2 7.5 81 81 A E H <5S+ 0 0 138 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.0 43.0 -68.3 -32.0 11.2 5.1 9.7 82 82 A K H <5S- 0 0 60 -4,-1.0 -2,-0.2 -5,-0.1 -1,-0.2 0.840 83.1-154.8 -79.6 -34.4 8.0 5.0 11.9 83 83 A Q T <5 + 0 0 65 -4,-2.2 -52,-0.1 1,-0.1 -3,-0.1 0.570 64.1 112.5 62.3 17.3 7.8 1.1 12.2 84 84 A D < - 0 0 60 -5,-0.5 3,-0.2 3,-0.1 -1,-0.1 -0.931 50.5-174.3-134.6 105.1 4.1 2.0 12.7 85 85 A P S S+ 0 0 22 0, 0.0 30,-0.3 0, 0.0 29,-0.2 0.547 91.6 42.3 -72.9 -9.5 1.3 1.2 10.2 86 86 A T S S+ 0 0 81 28,-0.1 2,-0.7 29,-0.1 25,-0.1 0.570 88.0 96.8-115.0 -13.2 -1.3 3.1 12.2 87 87 A D + 0 0 87 -3,-0.2 2,-0.3 -8,-0.1 -3,-0.1 -0.704 53.2 111.6 -86.3 112.7 0.6 6.3 13.1 88 88 A I - 0 0 36 -2,-0.7 2,-0.4 2,-0.0 9,-0.0 -0.938 47.1-147.1-170.5 151.3 -0.2 9.1 10.7 89 89 A K - 0 0 170 -2,-0.3 10,-0.4 6,-0.0 2,-0.4 -0.989 14.9-171.0-129.4 125.3 -2.0 12.5 10.4 90 90 A Y - 0 0 54 -2,-0.4 2,-0.3 7,-0.1 7,-0.2 -0.888 10.9-164.0-109.8 147.3 -3.8 13.7 7.3 91 91 A K + 0 0 130 5,-2.7 2,-0.2 -2,-0.4 4,-0.1 -0.701 57.6 71.7-128.8 79.7 -5.2 17.2 6.7 92 92 A D S S- 0 0 85 -2,-0.3 -2,-0.1 2,-0.1 5,-0.0 -0.868 89.7 -93.7-160.6-168.6 -7.5 17.0 3.8 93 93 A N S S+ 0 0 175 -2,-0.2 -3,-0.0 0, 0.0 -2,-0.0 0.248 123.1 22.3-102.6 8.9 -11.0 15.7 2.7 94 94 A D S S- 0 0 79 2,-0.0 -2,-0.1 0, 0.0 -4,-0.1 0.495 127.1 -68.9-132.2 -62.4 -9.3 12.5 1.4 95 95 A G + 0 0 2 -4,-0.1 12,-1.8 13,-0.1 13,-0.7 0.247 60.8 162.5 158.0 48.4 -6.0 11.9 3.1 96 96 A H - 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